JNJ-7925476
 | |
| IUPAC име | |
|---|---|
(6S,10bR)-6-(4-Etinilfenil)-1H,2H,3H,5H,6H,10bH-pirolo[2,1-a]izohinolin | |
| Идентификатори | |
| CAS број | 129540-12-1  109085-56-5 |
| PubChem | CID 13903191 |
| ChemSpider | 23130640 |
| UNII | VSM44B5G3G IQ02SF57WP |
| ChEMBL | CHEMBL286312 |
| Хемијски подаци | |
| Формула | C20H19N |
| Моларна маса | 273,38 g·mol−1 |
| |
| |
JNJ-7925476 je antidepresiv klase trostrukih inhibitora ponovnog uzimanja koji je otkrilo preduzeće Džonson & Džonson,[1] ali nikada nije plasiran na tržište.
Ovaj molekul su prvi pripremili Brus E. Marjanof i saradnici tokom kasnih 1970-ih – 1980-ih.[2][3][4] Struktura je piroloizohinolinsko jezgro, sa benzhidrilnim motivom.
Osobine
[уреди | уреди извор]JNJ-7925476 je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 273,372 Da.
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 1 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 1 |
| Particioni koeficijent[5] (ALogP) | 4,9 |
| Rastvorljivost[6] (logS, log(mol/L)) | -4,5 |
| Polarna površina[7] (PSA, Å2) | 3,2 |
Reference
[уреди | уреди извор]- ^ Aluisio L, Lord B, Barbier AJ, Fraser IC, Wilson SJ, Boggs J, et al. (јун 2008). „In-vitro and in-vivo characterization of JNJ-7925476, a novel triple monoamine uptake inhibitor”. European Journal of Pharmacology. 587 (1–3): 141—6. PMID 18499098. doi:10.1016/j.ejphar.2008.04.008.
- ^ Maryanoff BE, McComsey DF, Castanzo MJ, Setler PE, Gardocki JF, Shank RP, Schneider CR (август 1984). „Pyrroloisoquinoline antidepressants. Potent, enantioselective inhibition of tetrabenazine-induced ptosis and neuronal uptake of norepinephrine, dopamine, and serotonin”. Journal of Medicinal Chemistry. 27 (8): 943—6. PMID 6747993. doi:10.1021/jm00374a001.
- ^ Maryanoff BE, McComsey DF, Gardocki JF, Shank RP, Costanzo MJ, Nortey SO, et al. (август 1987). „Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships”. Journal of Medicinal Chemistry. 30 (8): 1433—54. PMID 3039136. doi:10.1021/jm00391a028.
- ^ Maryanoff BE, Vaught JL, Shank RP, McComsey DF, Costanzo MJ, Nortey SO (октобар 1990). „Pyrroloisoquinoline antidepressants. 3. A focus on serotonin”. Journal of Medicinal Chemistry. 33 (10): 2793—7. PMID 2213832. doi:10.1021/jm00172a018.
- ^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
- ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
- ^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura
[уреди | уреди извор]- Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.
